- InChI
- InChI=1S/C33H66O3Si3/c1-24(14-13-21-34-37(4,5)6)27-15-16-28-31-29(18-20-33(27,28)3)32(2)19-17-26(35-38(7,8)9)22-25(32)23-30(31)36-39(10,11)12/h24-31H,13-23H2,1-12H3/t24?,25-,26+,27?,28?,29?,30+,31?,32?,33?/m1/s1
- InChI Key
- DIDRNKWXXWKOIP-PRCCELAASA-N
- Formula
- C33H66O3Si3
- SMILES
-
CC(CCCO[Si](C)(C)C)C1CCC2C3C(O
[Si](C)(C)C)CC4CC(O[Si](C)(C)C )CCC4(C)C3CCC12C - Molecular Weight1
- 595.13
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7905 | Relay (1.0) Calculated Property | |
| ΔfG° | 14.76 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1162.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.963 | Crippen Calculated Property | |
| Inp | 3298.00 | NIST | |
| Tboil | 725.00 | K | Relay (1.0) Calculated Property |
| Tc | 982.95 | K | Relay (1.0) Calculated Property |
| Tfus | 375.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.972 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Cholane-3«alpha»,7«alpha»,24-triol, TMS.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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